4-hexylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-hexylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-hexylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-(hexylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-hexylsulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(hexylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCCCCCSC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C13H20N2O2S/c1-4-5-6-7-8-18-12-11(13(16)17)9(2)14-10(3)15-12/h4-8H2,1-3H3,(H,16,17)